Nitric Acid

Nitric Acid

SCHEMBL6034752

COc1ccc(NC(=N)N)cc1OC.O=[N+]([O-])O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Nitric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
KMT2A Q03164 8/20 0.53
MEN1 O00255 7/20 0.53
MAPT P10636 6/20 0.53
MAPK1 P28482 2/20 0.53
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
BLM P54132 1/20 0.53
SETD7 Q8WTS6 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.48
IMPDH2 P12268 1/20 0.48
IMPDH1 P20839 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Nitric Acid SCHEMBL1185356 1.00 ALOX5 (0.56) ALOX5KMT2AMEN1MAPTMAPK1
Nitric Acid SCHEMBL1184611 0.90 MEN1 (0.46) ALOX5KMT2AMEN1MAPTMAPK1
SCHEMBL1184403 0.89 KMT2A (0.57) KMT2AMEN1MAPTCYP1A2CYP2C19
Nitric Acid SCHEMBL1361894 0.89 ALOX5 (0.45) ALOX5KMT2AMEN1MAPTMAPK1
Nitric Acid SCHEMBL6734400 0.87 KMT2A (0.53) ALOX5KMT2AMEN1MAPTMAPK1
Nitric Acid SCHEMBL2511257 0.86 HTT (0.47) ALOX5KMT2AMEN1MAPTMAPK1
Nitric Acid SCHEMBL4162364 0.85 L3MBTL1 (0.46) KMT2AMEN1MAPTMAPK1POLB
Nitric Acid SCHEMBL20984450 0.83 ALOX5 (0.52) ALOX5KMT2AMEN1MAPTMAPK1
Nitric Acid SCHEMBL5354098 0.81 ALDH1A1 (0.52) ALOX5KMT2AMEN1MAPTHTT
SCHEMBL10384373 0.81 MAPT (0.55) ALOX5KMT2AMEN1MAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR ALOX5 704/4885KMT2A 2638/4885MEN1 4739/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR ALOX5 696/4885KMT2A 2620/4885MEN1 4769/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.